CID 87871

18967-31-2

Structural Information

Molecular Formula

C₁₀H₅Br₅O₂

SMILES

CC(=C)C(=O)OC1=C(C(=C(C(=C1Br)Br)Br)Br)Br

InChI

InChI=1S/C10H5Br5O2/c1-3(2)10(16)17-9-7(14)5(12)4(11)6(13)8(9)15/h1H2,2H3

InChIKey

OFZRSOGEOFHZKS-UHFFFAOYSA-N

Compound name

(2,3,4,5,6-pentabromophenyl) 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1632
Patents: 551.62067 Da
Monoisotopic Mass: 6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	552.62795	169.0
[M+Na]+	574.60989	176.2
[M-H]-	550.61339	172.5
[M+NH4]+	569.65449	176.1
[M+K]+	590.58383	164.5
[M+H-H2O]+	534.61793	185.9
[M+HCOO]-	596.61887	172.0
[M+CH3COO]-	610.63452	246.9
[M+Na-2H]-	572.59534	168.2
[M]+	551.62012	199.4
[M]-	551.62122	199.4

Literature stripe

literature stripe

Patent stripe

patents stripe